![1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea structure](/static/products/3328/33286-57-6.webp)
1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea
TL;DR: 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea (CAS 33286-57-6) is a chemical compound with molecular formula C13H21ClN2O and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-adamantyl)-3-(2-chloroethyl)urea
Also Known As: 1-(2-adamantyl)-3-(2-chloroethyl)urea, KST-1B3229, 1-(2-chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea, N-(Adamantan-2-yl)-N'-(2-chloroethyl)urea, Urea,N-(2-chloroethyl)-N'-tricyclo[3.3.1.13,7]dec-2-yl-
| Molecular Formula | C13H21ClN2O |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.13425 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 33286-57-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3NC(=O)NCCCl |
| InChIKey | DVTGTPJRYOAKQR-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea (CAS 33286-57-6), with molecular formula C13H21ClN2O and molecular weight 256.13 g/mol. IUPAC: 1-(2-adamantyl)-3-(2-chloroethyl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea
Property Insights of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea?
The CAS number of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea is 33286-57-6.
What is the molecular formula of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea?
The molecular formula of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea is C13H21ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea?
The molecular weight of 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea is 256.13 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea?
You can request a quote for 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-tricyclo[3.3.1.13,7]dec-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.